SCHEMBL9944244

SCHEMBL9944244

CC(=O)c1ccc(NC(=O)c2cc(OC(C)C)c(Br)c(OC(C)C)c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 3/20 0.46
MAPK1 P28482 1/20 0.46
TOP1 P11387 3/20 0.46
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
RORC P51449 1/20 0.44
ABCB1 P08183 1/20 0.43
KMT2A Q03164 1/20 0.43
PLAU P00749 1/20 0.42
PKM P14618 1/20 0.42
MAPK14 Q16539 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1459226 0.91 NR1H4 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL9944243 0.88 TOP1 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL9944252 0.88 RORC (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL9944247 0.87 RAB9A (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL9944242 0.86 KCNQ3 (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL9944186 0.85 RAB9A (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL9944245 0.84 RORC (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL9944241 0.84 MAPT (0.51) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL9944193 0.83 RORC (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL9944328 0.83 RAB9A (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RAB9A 271/4885NPC1 277/4885ALDH1A1 128/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RAB9A 271/4885NPC1 277/4885ALDH1A1 128/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.